4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine

C13H17NO — CID 569306

IUPAC4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine
SMILESCC1CC(C)(C)N=C(c2ccccc2)O1
InChIInChI=1S/C13H17NO/c1-10-9-13(2,3)14-12(15-10)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeySWWPMSJGZDRNAG-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.02
Rot. Bonds1

About 4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine

4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine (PubChem CID 569306) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine
PubChem CID569306
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine
SMILESCC1CC(C)(C)N=C(c2ccccc2)O1
InChIInChI=1S/C13H17NO/c1-10-9-13(2,3)14-12(15-10)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeySWWPMSJGZDRNAG-UHFFFAOYSA-N
XLogP3.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine (CID 569306) is 4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine is CC1CC(C)(C)N=C(c2ccccc2)O1.
What is the InChIKey of 4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine?
The InChIKey is SWWPMSJGZDRNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-9-13(2,3)14-12(15-10)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine?
4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine has a molecular weight of 203.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-phenyl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 569306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).